2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

C19H14N2O3 — CID 5221713

IUPAC2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESCOc1cc(C=Nc2oc(-c3ccccc3)cc2C#N)ccc1O
InChIInChI=1S/C19H14N2O3/c1-23-18-9-13(7-8-16(18)22)12-21-19-15(11-20)10-17(24-19)14-5-3-2-4-6-14/h2-10,12,22H,1H3
InChIKeySPMGIQQWRRFVNY-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.28
Rot. Bonds4

About 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (PubChem CID 5221713) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
PubChem CID5221713
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESCOc1cc(C=Nc2oc(-c3ccccc3)cc2C#N)ccc1O
InChIInChI=1S/C19H14N2O3/c1-23-18-9-13(7-8-16(18)22)12-21-19-15(11-20)10-17(24-19)14-5-3-2-4-6-14/h2-10,12,22H,1H3
InChIKeySPMGIQQWRRFVNY-UHFFFAOYSA-N
XLogP4.28
TPSA78.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059625
4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
CID 139228404
2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 135676096
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 2645930
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 135441799
[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534535
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
4-[[4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-2-methoxyphenol;4-pyridin-4-ylpyridine
CID 139088925
(Z)-2-benzoyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 21142147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (CID 5221713) is 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is COc1cc(C=Nc2oc(-c3ccccc3)cc2C#N)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The InChIKey is SPMGIQQWRRFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-18-9-13(7-8-16(18)22)12-21-19-15(11-20)10-17(24-19)14-5-3-2-4-6-14/h2-10,12,22H,1H3.
What are the key properties of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile has a molecular weight of 318.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 5221713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).